2020-Now |
PhD candidate (Physics)
Thesis title : Multiscale modeling of loading and unloading of hydrogen in hydrogen storage material using Small Angle Neutron Scattering (SANS) data
- Further development of software solution Sassena for calculation of scattering pattern from Molecular Dynamics (MD) simulation.
- Calculation of spectroscopic and wide angle diffraction pattern from Molecular Dynamics (MD) simulations.
- Development of novel method for calculation of small angle neutron scattering (SANS) pattern from Molecular Dynamics (MD) simulation without any finite size effect.
- Development of novel method for calculation of small angle neutron scattering (SANS) pattern from continuum simulation without any finite size effect.
- Data-driven simulation of diffusion of hydrogen in hydrogen storage material using experimentally measured SANS data.
Additional responsibilities :
- Trouble shooting simulations of colleagues to enable them to efficiently use Sassena.
- Taking part in different experiments line neutron powder diffraction and X-ray diffraction, with colleagues.
Note : Finishing in 2024 January
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